CID 3066840

295 hc

Structural Information

Molecular Formula
C18H38N4O2
SMILES
C[N+]1(CCOCC1)CCN2CCN(CC2)CC[N+]3(CCOCC3)C
InChI
InChI=1S/C18H38N4O2/c1-21(11-15-23-16-12-21)9-7-19-3-5-20(6-4-19)8-10-22(2)13-17-24-18-14-22/h3-18H2,1-2H3/q+2
InChIKey
MXMMQVZZSHHTJG-UHFFFAOYSA-N
Compound name
4-methyl-4-[2-[4-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]piperazin-1-yl]ethyl]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.29947 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.30675 185.9
[M+Na]+ 365.28869 184.9
[M-H]- 341.29219 188.2
[M+NH4]+ 360.33329 193.2
[M+K]+ 381.26263 173.7
[M+H-H2O]+ 325.29673 178.2
[M+HCOO]- 387.29767 189.3
[M+CH3COO]- 401.31332 196.8
[M+Na-2H]- 363.27414 191.9
[M]+ 342.29892 174.4
[M]- 342.30002 174.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.